ACCESSION: MSBNK-Keio_Univ-KO002044
RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A010

CH$NAME: Anthranilate
CH$NAME: o-Aminobenzoic acid
CH$NAME: Anthranilic acid
CH$NAME: 2-Aminobenzoate
CH$NAME: Vitamin L1
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NO₂
CH$EXACT_MASS: 137.04768
CH$SMILES: OC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
CH$LINK: CAS 118-92-3
CH$LINK: CHEBI 30754
CH$LINK: CHEMPDB BE2
CH$LINK: KEGG C00108
CH$LINK: NIKKAJI J2.912B
CH$LINK: PUBCHEM SID:3408
CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020094

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-4900000000-f8f84a5536375300afbd
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  40.100 29703.0 2
  41.200 19802.0 1
  42.800 39604.0 3
  45.000 59406.0 4
  59.200 608911.5 43
  61.400 34653.5 2
  65.000 34653.5 2
  69.100 2767329.5 195
  70.000 2623765.0 185
  73.600 34653.5 2
  74.200 19802.0 1
  84.900 14851.5 1
  89.200 297030.0 21
  91.900 1435645.0 101
  93.300 19802.0 1
  103.000 183168.5 13
  110.200 14851.5 1
  120.200 14158430.0 999
  121.000 450495.5 32
  138.200 232673.5 16
//